(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione

C13H22N2O2S — CID 167863207

IUPAC(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione
SMILESCSCC[C@@H]1NC(=O)C(C2CCCCC2)NC1=O
InChIInChI=1S/C13H22N2O2S/c1-18-8-7-10-12(16)15-11(13(17)14-10)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,17)(H,15,16)/t10-,11?/m0/s1
InChIKeyXNBKMHJRNISXBZ-VUWPPUDQSA-N
MW270.40 g/mol
LogP1.30
Rot. Bonds4

About (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione

(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione (PubChem CID 167863207) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione
PubChem CID167863207
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione
SMILESCSCC[C@@H]1NC(=O)C(C2CCCCC2)NC1=O
InChIInChI=1S/C13H22N2O2S/c1-18-8-7-10-12(16)15-11(13(17)14-10)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,17)(H,15,16)/t10-,11?/m0/s1
InChIKeyXNBKMHJRNISXBZ-VUWPPUDQSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one
CID 70648148
2-[5-(2-methylsulfanylethyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 10377252
(6R)-3-(2-bromophenyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 155955741
(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione
CID 57496729
2-methylsulfanylethylcyclohexane
CID 14024904
(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one
CID 124552453
(3S)-18,31,44,57-tetramethyl-3-(2-methylsulfanylethyl)-2,5,9,14,18,22,27,31,35,40,44,48,53,57,61-pentadecazahexacyclo[60.2.0.010,13.023,26.036,39.049,52]tetrahexaconta-1(62),10(13),23(26),36(39),49(52)-pentaene-4,11,12,24,25,37,38,50,51,63,64-undecone
CID 71467213
4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
CID 79960449
4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
CID 130006716
(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
CID 129415860
(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 7619116
2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one
CID 130024148

Frequently Asked Questions

What is the IUPAC name of (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
The IUPAC name of (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione (CID 167863207) is (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione.
What is the SMILES notation for (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
The canonical SMILES for (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione is CSCC[C@@H]1NC(=O)C(C2CCCCC2)NC1=O.
What is the InChIKey of (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
The InChIKey is XNBKMHJRNISXBZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-18-8-7-10-12(16)15-11(13(17)14-10)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,17)(H,15,16)/t10-,11?/m0/s1.
What are the key properties of (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione?
(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione has a molecular weight of 270.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione is sourced from PubChem (CID 167863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).